UCSF

ZINC42777803

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.47 8.04 -103.7 3 5 2 42 283.464 8
Hi High (pH 8-9.5) 1.47 6.01 -40.03 2 5 1 41 282.456 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )